2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile

C11H7BrClN3S — CID 83076266

IUPAC2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2sccc2Br)c1
InChIInChI=1S/C11H7BrClN3S/c12-8-1-2-17-9(8)6-15-11-4-7(5-14)3-10(13)16-11/h1-4H,6H2,(H,15,16)
InChIKeyAXAFEWBIWPZFRR-UHFFFAOYSA-N
MW328.62 g/mol
LogP4.04
Rot. Bonds3

About 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile

2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile (PubChem CID 83076266) has the molecular formula C11H7BrClN3S and a molecular weight of 328.62 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
PubChem CID83076266
Molecular FormulaC11H7BrClN3S
Molecular Weight328.62 g/mol
Exact Mass326.92
IUPAC Name2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2sccc2Br)c1
InChIInChI=1S/C11H7BrClN3S/c12-8-1-2-17-9(8)6-15-11-4-7(5-14)3-10(13)16-11/h1-4H,6H2,(H,15,16)
InChIKeyAXAFEWBIWPZFRR-UHFFFAOYSA-N
XLogP4.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
CID 114051280
4-[(3-bromothiophen-2-yl)methylamino]-3-fluorobenzonitrile
CID 78916140
5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468821
N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
CID 79035166
4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile (CID 83076266) is 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCc2sccc2Br)c1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile?
The InChIKey is AXAFEWBIWPZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3S/c12-8-1-2-17-9(8)6-15-11-4-7(5-14)3-10(13)16-11/h1-4H,6H2,(H,15,16).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile?
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile has a molecular weight of 328.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 83076266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).